Crystallography Open Database

Information card for entry 4113013

Preview

Coordinates	4113013.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C29 H41 Cl2 N2 O2 Rh
Calculated formula	C25.5 H37 Cl2 N2 O2 Rh
Title of publication	Unusual Ar-H/Rh-H JHH NMR Coupling in Complexes of Rhodium(III): Experimental Evidence and Theoretical Support for an η1-Arene Structure
Authors of publication	Jennifer R. Krumper; Michael Gerisch; Alessandra Magistrato; Ursula Rothlisberger; Robert G. Bergman; T. Don Tilley
Journal of publication	Journal of the American Chemical Society
Year of publication	2004
Journal volume	126
Pages of publication	12492 - 12502
a	20.69 ± 0.003 Å
b	8.419 ± 0.001 Å
c	16.06 ± 0.002 Å
α	90°
β	106.887 ± 0.002°
γ	90°
Cell volume	2676.8 ± 0.6 Å³
Cell temperature	146.2 K
Number of distinct elements	6
Space group number	5
Hermann-Mauguin space group symbol	C 1 2 1
Hall space group symbol	C 2y
Residual factor for significantly intense reflections	0
Weighted residual factors for all reflections included in the refinement	0.03
Goodness-of-fit parameter for all reflections included in the refinement	0.891
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4113013.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4113013.cif
65433	2012-09-05	cif/ Adding structures of 4113013 via cif-deposit CGI script.	4113013.cif